4-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]phenyl thiocyanate

Chemical Structure Depiction of
4-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]phenyl thiocyanate
Available: 214 mg
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mg
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Compound characteristics

Compound ID: D443-2444
Compound Name: 4-[(1-oxo-1H-2-benzothiopyran-3-carbonyl)amino]phenyl thiocyanate
Molecular Weight: 338.4
Molecular Formula: C17 H10 N2 O2 S2
Smiles: C1=C(C(Nc2ccc(cc2)SC#N)=O)SC(c2ccccc12)=O
Stereo: ACHIRAL
logP: 3.8352
logD: 3.8352
logSw: -4.2758
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 54.119
InChI Key: JJPLVMNLRIVOOQ-UHFFFAOYSA-N
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